data_A1BEI
# 
_chem_comp.id                                    A1BEI 
_chem_comp.name                                  "methyl 3-[(7M)-1-[(1R,4R,5S)-2-azabicyclo[2.1.1]hexan-5-yl]-8-(2-cyanoethyl)-4-[3-(dimethylamino)azetidin-1-yl]-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-1H-imidazo[4,5-c]quinolin-2-yl]propanoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H38 F N7 O3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-10-29 
_chem_comp.pdbx_modified_date                    2025-01-17 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        647.741 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BEI 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        9E5D 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
A1BEI C1  C1  C 0 1 N N N N N N -30.108 -5.139  -19.374 8.852  -2.179 2.407  C1  A1BEI 1  
A1BEI O1  O1  O 0 1 N N N N N N -29.658 -4.993  -20.756 7.574  -1.491 2.376  O1  A1BEI 2  
A1BEI N2  N1  N 0 1 Y N N N N N -22.406 -6.004  -22.937 -0.051 2.174  -0.860 N2  A1BEI 3  
A1BEI C2  C2  C 0 1 N N N N N N -28.727 -4.106  -21.013 6.928  -1.458 1.199  C2  A1BEI 4  
A1BEI O2  O2  O 0 1 N N N N N N -28.084 -3.555  -20.160 7.415  -1.987 0.228  O2  A1BEI 5  
A1BEI O3  O3  O 0 1 N N N N N N -16.697 -3.693  -28.083 -6.995 -1.041 -2.248 O3  A1BEI 6  
A1BEI C3  C3  C 0 1 N N N N N N -28.625 -3.870  -22.486 5.596  -0.761 1.090  C3  A1BEI 7  
A1BEI C4  C4  C 0 1 N N N N N N -27.514 -2.882  -22.793 5.081  -0.869 -0.346 C4  A1BEI 8  
A1BEI C5  C5  C 0 1 Y N N N N N -26.159 -3.491  -22.749 3.698  -0.275 -0.430 C5  A1BEI 9  
A1BEI N1  N2  N 0 1 Y N N N N N -25.903 -4.758  -22.548 3.433  0.966  -0.718 N1  A1BEI 10 
A1BEI C6  C6  C 0 1 Y N N N N N -24.555 -4.936  -22.782 2.092  1.157  -0.706 C6  A1BEI 11 
A1BEI C7  C7  C 0 1 Y N N N N N -23.738 -6.080  -22.691 1.257  2.275  -0.940 C7  A1BEI 12 
A1BEI C8  C8  C 0 1 Y N N N N N -21.883 -4.841  -23.467 -0.662 1.018  -0.555 C8  A1BEI 13 
A1BEI C9  C9  C 0 1 Y N N N N N -20.531 -4.829  -23.878 -2.061 0.950  -0.479 C9  A1BEI 14 
A1BEI F1  F1  F 0 1 N N N N N N -19.789 -5.906  -23.652 -2.809 2.051  -0.714 F1  A1BEI 15 
A1BEI C10 C10 C 0 1 Y N N N N N -19.969 -3.718  -24.510 -2.674 -0.255 -0.161 C10 A1BEI 16 
A1BEI C11 C11 C 0 1 Y N N N N N -20.751 -2.566  -24.776 -1.904 -1.401 0.083  C11 A1BEI 17 
A1BEI C12 C12 C 0 1 N N N N N N -20.177 -1.305  -25.413 -2.587 -2.700 0.427  C12 A1BEI 18 
A1BEI C13 C13 C 0 1 N N N N N N -19.183 -0.573  -24.506 -2.990 -3.421 -0.861 C13 A1BEI 19 
A1BEI C14 C14 C 0 1 N N N N N N -19.629 -0.468  -23.109 -3.657 -4.689 -0.525 C14 A1BEI 20 
A1BEI N3  N3  N 0 1 N N N N N N -19.963 -0.477  -22.021 -4.172 -5.668 -0.266 N3  A1BEI 21 
A1BEI C15 C15 C 0 1 Y N N N N N -22.033 -2.550  -24.289 -0.546 -1.352 0.013  C15 A1BEI 22 
A1BEI C16 C16 C 0 1 Y N N N N N -22.643 -3.647  -23.624 0.099  -0.149 -0.306 C16 A1BEI 23 
A1BEI C17 C17 C 0 1 Y N N N N N -24.004 -3.734  -23.181 1.508  -0.071 -0.385 C17 A1BEI 24 
A1BEI N4  N4  N 0 1 Y N N N N N -25.024 -2.799  -23.139 2.540  -0.956 -0.215 N4  A1BEI 25 
A1BEI C18 C18 C 0 1 N N S N N N -24.828 -1.373  -23.104 2.418  -2.374 0.133  C18 A1BEI 26 
A1BEI C19 C19 C 0 1 N N R N N N -25.604 -0.421  -22.129 1.592  -3.214 -0.877 C19 A1BEI 27 
A1BEI C20 C20 C 0 1 N N N N N N -25.431 -1.035  -20.743 2.249  -2.813 -2.242 C20 A1BEI 28 
A1BEI N5  N5  N 0 1 N N N N N N -23.996 -1.412  -20.805 3.689  -2.862 -1.839 N5  A1BEI 29 
A1BEI C21 C21 C 0 1 N N R N N N -23.644 -0.841  -22.126 3.569  -3.265 -0.397 C21 A1BEI 30 
A1BEI C22 C22 C 0 1 N N N N N N -24.384 0.517   -22.138 2.469  -4.361 -0.285 C22 A1BEI 31 
A1BEI C23 C23 C 0 1 Y N N N N N -18.521 -3.759  -24.934 -4.150 -0.329 -0.080 C23 A1BEI 32 
A1BEI C24 C24 C 0 1 Y N N N N N -18.212 -3.772  -26.287 -4.894 -0.651 -1.201 C24 A1BEI 33 
A1BEI C25 C25 C 0 1 Y N N N N N -16.894 -3.680  -26.748 -6.286 -0.724 -1.133 C25 A1BEI 34 
A1BEI C26 C26 C 0 1 Y N N N N N -15.865 -3.545  -25.843 -6.950 -0.478 0.047  C26 A1BEI 35 
A1BEI C27 C27 C 0 1 Y N N N N N -16.119 -3.518  -24.443 -6.224 -0.148 1.204  C27 A1BEI 36 
A1BEI C28 C28 C 0 1 Y N N N N N -15.074 -3.364  -23.487 -6.877 0.107  2.423  C28 A1BEI 37 
A1BEI C29 C29 C 0 1 Y N N N N N -15.340 -3.232  -22.144 -6.145 0.423  3.526  C29 A1BEI 38 
A1BEI C30 C30 C 0 1 Y N N N N N -16.669 -3.315  -21.668 -4.755 0.497  3.467  C30 A1BEI 39 
A1BEI C31 C31 C 0 1 Y N N N N N -17.682 -3.532  -22.542 -4.090 0.256  2.303  C31 A1BEI 40 
A1BEI C32 C32 C 0 1 Y N N N N N -17.470 -3.613  -23.956 -4.811 -0.078 1.147  C32 A1BEI 41 
A1BEI N6  N6  N 0 1 N N N N N N -24.272 -7.270  -22.232 1.828  3.496  -1.259 N6  A1BEI 42 
A1BEI C33 C33 C 0 1 N N N N N N -25.647 -7.722  -21.974 0.793  4.526  -1.464 C33 A1BEI 43 
A1BEI C34 C34 C 0 1 N N N N N N -25.170 -9.144  -22.258 1.693  5.504  -0.696 C34 A1BEI 44 
A1BEI C35 C35 C 0 1 N N N N N N -23.729 -8.626  -22.380 2.233  4.224  -0.043 C35 A1BEI 45 
A1BEI N7  N7  N 0 1 N N N N N N -25.741 -9.771  -23.457 0.969  6.394  0.221  N7  A1BEI 46 
A1BEI C36 C36 C 0 1 N N N N N N -27.192 -10.052 -23.403 1.894  7.298  0.918  C36 A1BEI 47 
A1BEI C37 C37 C 0 1 N N N N N N -25.044 -11.039 -23.814 -0.071 7.150  -0.490 C37 A1BEI 48 
A1BEI H1  H1  H 0 1 N N N N N N -30.885 -5.916  -19.321 8.710  -3.222 2.122  H1  A1BEI 49 
A1BEI H2  H2  H 0 1 N N N N N N -29.257 -5.428  -18.740 9.539  -1.702 1.709  H2  A1BEI 50 
A1BEI H3  H3  H 0 1 N N N N N N -30.521 -4.183  -19.020 9.266  -2.132 3.414  H3  A1BEI 51 
A1BEI H4  H4  H 0 1 N N N N N N -15.767 -3.625  -28.267 -7.145 -1.990 -2.362 H4  A1BEI 52 
A1BEI H5  H5  H 0 1 N N N N N N -29.580 -3.466  -22.854 4.884  -1.230 1.768  H5  A1BEI 53 
A1BEI H6  H6  H 0 1 N N N N N N -28.411 -4.823  -22.991 5.713  0.290  1.356  H6  A1BEI 54 
A1BEI H7  H7  H 0 1 N N N N N N -27.556 -2.069  -22.054 5.750  -0.327 -1.015 H7  A1BEI 55 
A1BEI H8  H8  H 0 1 N N N N N N -27.680 -2.471  -23.800 5.044  -1.918 -0.641 H8  A1BEI 56 
A1BEI H9  H9  H 0 1 N N N N N N -19.661 -1.586  -26.343 -1.904 -3.329 0.998  H9  A1BEI 57 
A1BEI H10 H10 H 0 1 N N N N N N -21.007 -0.622  -25.646 -3.477 -2.496 1.023  H10 A1BEI 58 
A1BEI H11 H11 H 0 1 N N N N N N -18.227 -1.118  -24.526 -3.672 -2.791 -1.431 H11 A1BEI 59 
A1BEI H12 H12 H 0 1 N N N N N N -19.034 0.443   -24.901 -2.100 -3.625 -1.456 H12 A1BEI 60 
A1BEI H13 H13 H 0 1 N N N N N N -22.614 -1.649  -24.419 0.036  -2.241 0.203  H13 A1BEI 61 
A1BEI H14 H14 H 0 1 N N N N N N -24.730 -0.925  -24.104 2.160  -2.544 1.178  H14 A1BEI 62 
A1BEI H15 H15 H 0 1 N N N N N N -26.587 -0.033  -22.435 0.504  -3.255 -0.816 H15 A1BEI 63 
A1BEI H16 H16 H 0 1 N N N N N N -25.627 -0.303  -19.945 2.028  -3.544 -3.020 H16 A1BEI 64 
A1BEI H17 H17 H 0 1 N N N N N N -26.078 -1.913  -20.602 1.953  -1.810 -2.547 H17 A1BEI 65 
A1BEI H18 H18 H 0 1 N N N N N N -23.870 -2.404  -20.783 4.120  -1.954 -1.926 H18 A1BEI 66 
A1BEI H20 H20 H 0 1 N N N N N N -22.611 -0.892  -22.501 4.490  -3.363 0.178  H20 A1BEI 67 
A1BEI H21 H21 H 0 1 N N N N N N -24.253 1.130   -23.042 2.214  -4.644 0.737  H21 A1BEI 68 
A1BEI H22 H22 H 0 1 N N N N N N -24.252 1.146   -21.246 2.609  -5.213 -0.951 H22 A1BEI 69 
A1BEI H23 H23 H 0 1 N N N N N N -19.013 -3.856  -27.006 -4.393 -0.847 -2.137 H23 A1BEI 70 
A1BEI H24 H24 H 0 1 N N N N N N -14.850 -3.458  -26.201 -8.028 -0.537 0.084  H24 A1BEI 71 
A1BEI H25 H25 H 0 1 N N N N N N -14.048 -3.351  -23.825 -7.954 0.053  2.483  H25 A1BEI 72 
A1BEI H26 H26 H 0 1 N N N N N N -14.530 -3.064  -21.450 -6.649 0.619  4.461  H26 A1BEI 73 
A1BEI H27 H27 H 0 1 N N N N N N -16.876 -3.206  -20.614 -4.197 0.750  4.356  H27 A1BEI 74 
A1BEI H28 H28 H 0 1 N N N N N N -18.685 -3.648  -22.158 -3.012 0.317  2.271  H28 A1BEI 75 
A1BEI H29 H29 H 0 1 N N N N N N -26.395 -7.340  -22.684 0.651  4.797  -2.511 H29 A1BEI 76 
A1BEI H30 H30 H 0 1 N N N N N N -25.998 -7.554  -20.945 -0.145 4.306  -0.955 H30 A1BEI 77 
A1BEI H31 H31 H 0 1 N N N N N N -25.283 -9.782  -21.369 2.418  6.027  -1.320 H31 A1BEI 78 
A1BEI H32 H32 H 0 1 N N N N N N -23.058 -8.942  -21.568 1.679  3.924  0.847  H32 A1BEI 79 
A1BEI H33 H33 H 0 1 N N N N N N -23.251 -8.825  -23.350 3.311  4.239  0.116  H33 A1BEI 80 
A1BEI H35 H35 H 0 1 N N N N N N -27.735 -9.132  -23.141 2.426  7.907  0.187  H35 A1BEI 81 
A1BEI H36 H36 H 0 1 N N N N N N -27.533 -10.411 -24.385 1.332  7.945  1.590  H36 A1BEI 82 
A1BEI H37 H37 H 0 1 N N N N N N -27.388 -10.822 -22.643 2.611  6.711  1.492  H37 A1BEI 83 
A1BEI H38 H38 H 0 1 N N N N N N -23.960 -10.861 -23.862 0.390  7.754  -1.271 H38 A1BEI 84 
A1BEI H39 H39 H 0 1 N N N N N N -25.257 -11.802 -23.051 -0.782 6.456  -0.938 H39 A1BEI 85 
A1BEI H40 H40 H 0 1 N N N N N N -25.401 -11.391 -24.793 -0.591 7.801  0.213  H40 A1BEI 86 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1BEI O3  C25 SING N N 1  
A1BEI C25 C24 DOUB Y N 2  
A1BEI C25 C26 SING Y N 3  
A1BEI C24 C23 SING Y N 4  
A1BEI C26 C27 DOUB Y N 5  
A1BEI C12 C11 SING N N 6  
A1BEI C12 C13 SING N N 7  
A1BEI C23 C10 SING N N 8  
A1BEI C23 C32 DOUB Y N 9  
A1BEI C11 C10 DOUB Y N 10 
A1BEI C11 C15 SING Y N 11 
A1BEI C10 C9  SING Y N 12 
A1BEI C13 C14 SING N N 13 
A1BEI C27 C32 SING Y N 14 
A1BEI C27 C28 SING Y N 15 
A1BEI C15 C16 DOUB Y N 16 
A1BEI C32 C31 SING Y N 17 
A1BEI C9  F1  SING N N 18 
A1BEI C9  C8  DOUB Y N 19 
A1BEI C37 N7  SING N N 20 
A1BEI C16 C8  SING Y N 21 
A1BEI C16 C17 SING Y N 22 
A1BEI C28 C29 DOUB Y N 23 
A1BEI C8  N2  SING Y N 24 
A1BEI N7  C36 SING N N 25 
A1BEI N7  C34 SING N N 26 
A1BEI C17 N4  SING Y N 27 
A1BEI C17 C6  DOUB Y N 28 
A1BEI N4  C18 SING N N 29 
A1BEI N4  C5  SING Y N 30 
A1BEI C14 N3  TRIP N N 31 
A1BEI C18 C19 SING N N 32 
A1BEI C18 C21 SING N N 33 
A1BEI N2  C7  DOUB Y N 34 
A1BEI C4  C5  SING N N 35 
A1BEI C4  C3  SING N N 36 
A1BEI C6  C7  SING Y N 37 
A1BEI C6  N1  SING Y N 38 
A1BEI C5  N1  DOUB Y N 39 
A1BEI C7  N6  SING N N 40 
A1BEI C31 C30 DOUB Y N 41 
A1BEI C3  C2  SING N N 42 
A1BEI C35 C34 SING N N 43 
A1BEI C35 N6  SING N N 44 
A1BEI C34 C33 SING N N 45 
A1BEI N6  C33 SING N N 46 
A1BEI C29 C30 SING Y N 47 
A1BEI C22 C19 SING N N 48 
A1BEI C22 C21 SING N N 49 
A1BEI C19 C20 SING N N 50 
A1BEI C21 N5  SING N N 51 
A1BEI C2  O1  SING N N 52 
A1BEI C2  O2  DOUB N N 53 
A1BEI N5  C20 SING N N 54 
A1BEI O1  C1  SING N N 55 
A1BEI C1  H1  SING N N 56 
A1BEI C1  H2  SING N N 57 
A1BEI C1  H3  SING N N 58 
A1BEI O3  H4  SING N N 59 
A1BEI C3  H5  SING N N 60 
A1BEI C3  H6  SING N N 61 
A1BEI C4  H7  SING N N 62 
A1BEI C4  H8  SING N N 63 
A1BEI C12 H9  SING N N 64 
A1BEI C12 H10 SING N N 65 
A1BEI C13 H11 SING N N 66 
A1BEI C13 H12 SING N N 67 
A1BEI C15 H13 SING N N 68 
A1BEI C18 H14 SING N N 69 
A1BEI C19 H15 SING N N 70 
A1BEI C20 H16 SING N N 71 
A1BEI C20 H17 SING N N 72 
A1BEI N5  H18 SING N N 73 
A1BEI C21 H20 SING N N 74 
A1BEI C22 H21 SING N N 75 
A1BEI C22 H22 SING N N 76 
A1BEI C24 H23 SING N N 77 
A1BEI C26 H24 SING N N 78 
A1BEI C28 H25 SING N N 79 
A1BEI C29 H26 SING N N 80 
A1BEI C30 H27 SING N N 81 
A1BEI C31 H28 SING N N 82 
A1BEI C33 H29 SING N N 83 
A1BEI C33 H30 SING N N 84 
A1BEI C34 H31 SING N N 85 
A1BEI C35 H32 SING N N 86 
A1BEI C35 H33 SING N N 87 
A1BEI C36 H35 SING N N 88 
A1BEI C36 H36 SING N N 89 
A1BEI C36 H37 SING N N 90 
A1BEI C37 H38 SING N N 91 
A1BEI C37 H39 SING N N 92 
A1BEI C37 H40 SING N N 93 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
A1BEI SMILES           ACDLabs              14.52   "CN(C)C1CN(C1)c1nc2c(F)c(c3cc(O)cc4ccccc43)c(CCC#N)cc2c2c1nc(CCC(=O)OC)n2C1C2CC1NC2"                                                                                                                                                                                      
A1BEI InChI            InChI                1.06    "InChI=1S/C37H38FN7O3/c1-43(2)23-18-44(19-23)37-34-36(45(35-22-15-28(35)40-17-22)29(41-34)10-11-30(47)48-3)27-14-21(8-6-12-39)31(32(38)33(27)42-37)26-16-24(46)13-20-7-4-5-9-25(20)26/h4-5,7,9,13-14,16,22-23,28,35,40,46H,6,8,10-11,15,17-19H2,1-3H3/t22-,28-,35+/m1/s1" 
A1BEI InChIKey         InChI                1.06    APCQXEIKSDWIBA-BLLMFBIISA-N                                                                                                                                                                                                                                               
A1BEI SMILES_CANONICAL CACTVS               3.385   "COC(=O)CCc1nc2c(nc3c(F)c(c(CCC#N)cc3c2n1[C@H]4[C@H]5CN[C@@H]4C5)c6cc(O)cc7ccccc67)N8C[C@H](C8)N(C)C"                                                                                                                                                                     
A1BEI SMILES           CACTVS               3.385   "COC(=O)CCc1nc2c(nc3c(F)c(c(CCC#N)cc3c2n1[CH]4[CH]5CN[CH]4C5)c6cc(O)cc7ccccc67)N8C[CH](C8)N(C)C"                                                                                                                                                                          
A1BEI SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CN(C)C1CN(C1)c2c3c(c4cc(c(c(c4n2)F)c5cc(cc6c5cccc6)O)CCC#N)n(c(n3)CCC(=O)OC)[C@H]7[C@@H]8C[C@H]7NC8"                                                                                                                                                                     
A1BEI SMILES           "OpenEye OEToolkits" 3.1.0.0 "CN(C)C1CN(C1)c2c3c(c4cc(c(c(c4n2)F)c5cc(cc6c5cccc6)O)CCC#N)n(c(n3)CCC(=O)OC)C7C8CC7NC8"                                                                                                                                                                                  
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
A1BEI "SYSTEMATIC NAME" ACDLabs              14.52   "methyl 3-[(7M)-1-[(1R,4R,5S)-2-azabicyclo[2.1.1]hexan-5-yl]-8-(2-cyanoethyl)-4-[3-(dimethylamino)azetidin-1-yl]-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-1H-imidazo[4,5-c]quinolin-2-yl]propanoate"     
A1BEI "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "methyl 3-[1-[(1~{R},4~{R},5~{S})-2-azabicyclo[2.1.1]hexan-5-yl]-8-(2-cyanoethyl)-4-[3-(dimethylamino)azetidin-1-yl]-6-fluoranyl-7-(3-oxidanylnaphthalen-1-yl)imidazo[4,5-c]quinolin-2-yl]propanoate" 
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loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1BEI "Create component" 2024-10-29 RCSB 
A1BEI "Initial release"  2025-01-22 RCSB 
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